(2R)-2-amino-1-(2,2,4-trimethylpyrrolidin-1-yl)propan-1-one

C10H20N2O — CID 130965250

IUPAC(2R)-2-amino-1-(2,2,4-trimethylpyrrolidin-1-yl)propan-1-one
SMILESCC1CN(C(=O)[C@@H](C)N)C(C)(C)C1
InChIInChI=1S/C10H20N2O/c1-7-5-10(3,4)12(6-7)9(13)8(2)11/h7-8H,5-6,11H2,1-4H3/t7?,8-/m1/s1
InChIKeyJTNJNYBTNPKZSW-BRFYHDHCSA-N
MW184.28 g/mol
LogP0.98
Rot. Bonds1

About (2R)-2-amino-1-(2,2,4-trimethylpyrrolidin-1-yl)propan-1-one

(2R)-2-amino-1-(2,2,4-trimethylpyrrolidin-1-yl)propan-1-one (PubChem CID 130965250) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is (2R)-2-amino-1-(2,2,4-trimethylpyrrolidin-1-yl)propan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-1-(2,2,4-trimethylpyrrolidin-1-yl)propan-1-one
PubChem CID130965250
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name(2R)-2-amino-1-(2,2,4-trimethylpyrrolidin-1-yl)propan-1-one
SMILESCC1CN(C(=O)[C@@H](C)N)C(C)(C)C1
InChIInChI=1S/C10H20N2O/c1-7-5-10(3,4)12(6-7)9(13)8(2)11/h7-8H,5-6,11H2,1-4H3/t7?,8-/m1/s1
InChIKeyJTNJNYBTNPKZSW-BRFYHDHCSA-N
XLogP0.98
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-(2,2,4-trimethylpyrrolidin-1-yl)propan-1-one?
The IUPAC name of (2R)-2-amino-1-(2,2,4-trimethylpyrrolidin-1-yl)propan-1-one (CID 130965250) is (2R)-2-amino-1-(2,2,4-trimethylpyrrolidin-1-yl)propan-1-one.
What is the SMILES notation for (2R)-2-amino-1-(2,2,4-trimethylpyrrolidin-1-yl)propan-1-one?
The canonical SMILES for (2R)-2-amino-1-(2,2,4-trimethylpyrrolidin-1-yl)propan-1-one is CC1CN(C(=O)[C@@H](C)N)C(C)(C)C1.
What is the InChIKey of (2R)-2-amino-1-(2,2,4-trimethylpyrrolidin-1-yl)propan-1-one?
The InChIKey is JTNJNYBTNPKZSW-BRFYHDHCSA-N. The full InChI is InChI=1S/C10H20N2O/c1-7-5-10(3,4)12(6-7)9(13)8(2)11/h7-8H,5-6,11H2,1-4H3/t7?,8-/m1/s1.
What are the key properties of (2R)-2-amino-1-(2,2,4-trimethylpyrrolidin-1-yl)propan-1-one?
(2R)-2-amino-1-(2,2,4-trimethylpyrrolidin-1-yl)propan-1-one has a molecular weight of 184.28 g/mol, XLogP of 0.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-(2,2,4-trimethylpyrrolidin-1-yl)propan-1-one is sourced from PubChem (CID 130965250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).